2-methyl-1-(4-thiophen-3-yl-1,3-thiazol-2-yl)propan-1-one

C11H11NOS2 — CID 58782137

IUPAC2-methyl-1-(4-thiophen-3-yl-1,3-thiazol-2-yl)propan-1-one
SMILESCC(C)C(=O)c1nc(-c2ccsc2)cs1
InChIInChI=1S/C11H11NOS2/c1-7(2)10(13)11-12-9(6-15-11)8-3-4-14-5-8/h3-7H,1-2H3
InChIKeyHUUBPEXJQKLBIS-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.71
Rot. Bonds3

About 2-methyl-1-(4-thiophen-3-yl-1,3-thiazol-2-yl)propan-1-one

2-methyl-1-(4-thiophen-3-yl-1,3-thiazol-2-yl)propan-1-one (PubChem CID 58782137) has the molecular formula C11H11NOS2 and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-methyl-1-(4-thiophen-3-yl-1,3-thiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(4-thiophen-3-yl-1,3-thiazol-2-yl)propan-1-one
PubChem CID58782137
Molecular FormulaC11H11NOS2
Molecular Weight237.35 g/mol
Exact Mass237.03
IUPAC Name2-methyl-1-(4-thiophen-3-yl-1,3-thiazol-2-yl)propan-1-one
SMILESCC(C)C(=O)c1nc(-c2ccsc2)cs1
InChIInChI=1S/C11H11NOS2/c1-7(2)10(13)11-12-9(6-15-11)8-3-4-14-5-8/h3-7H,1-2H3
InChIKeyHUUBPEXJQKLBIS-UHFFFAOYSA-N
XLogP3.71
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-(4-thiophen-3-yl-1,3-thiazol-2-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-thiophen-3-yl-1,3-thiazol-2-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(4-thiophen-3-yl-1,3-thiazol-2-yl)propan-1-one (CID 58782137) is 2-methyl-1-(4-thiophen-3-yl-1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(4-thiophen-3-yl-1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(4-thiophen-3-yl-1,3-thiazol-2-yl)propan-1-one is CC(C)C(=O)c1nc(-c2ccsc2)cs1.
What is the InChIKey of 2-methyl-1-(4-thiophen-3-yl-1,3-thiazol-2-yl)propan-1-one?
The InChIKey is HUUBPEXJQKLBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS2/c1-7(2)10(13)11-12-9(6-15-11)8-3-4-14-5-8/h3-7H,1-2H3.
What are the key properties of 2-methyl-1-(4-thiophen-3-yl-1,3-thiazol-2-yl)propan-1-one?
2-methyl-1-(4-thiophen-3-yl-1,3-thiazol-2-yl)propan-1-one has a molecular weight of 237.35 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-thiophen-3-yl-1,3-thiazol-2-yl)propan-1-one is sourced from PubChem (CID 58782137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).